Geometry & MOs

Info

ID:

117029

PubChem CID:

50585799

Reduced:

Cl2O5N6C39H52 (1)

Stoich.:

A2B5C6D39E52 (1)

Weight, g/mol:

627.282362

ΔHf, kcal/mol:

-235.33

Dipole, Da:

9.99

IP(EA), eV:

 -9.01(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCCC5)Cl)Cl

DOS

IR

Vibrations